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The efficient extraction of force constants (FCs) is crucial for the analysis of many thermodynamic materials properties. Approaches based on the systematic enumeration of finite differences scale poorly with system size and can rarely…

Materials Science · Physics 2020-08-03 Fredrik Eriksson , Erik Fransson , Paul Erhart

Modern TEM instrumentation can probe a wide range of structural, optical, and chemical properties with unprecedented resolution. However, each of these properties must be recorded in independent datasets using different detector modes with…

Materials Science · Physics 2023-01-16 Thomas Thersleff , Cheuk-Wai Tai

Optical spectroscopy is an important and widely used technique, for instance, to characterize new materials and to identify unknown compounds. Spectra are typically reported as a function of the wavelength of light, yet the information…

Optics · Physics 2026-05-06 Erik F. Woering , Richard Hildner

Focused optical fields are key to a multitude of applications involving light-matter interactions, such as optical microscopy, single-molecule spectroscopy, optical tweezers, lithography, or quantum coherent control. A detailed vectorial…

Optics · Physics 2022-03-14 Fernando Caprile , Luciano A. Masullo , Fernando D. Stefani

Traditional glass-based optics are typically optimized for narrow spectral bands, such as the visible (400-700nm) or shortwave infrared (1000-1800nm). While the emergence of VIS-SWIR sensors (400-1700nm) offers transformative potential,…

Image and Video Processing · Electrical Eng. & Systems 2026-05-04 Vishwanath Saragadam , Niki Nezakati , Amit Roy-Chowdhury , Vivek Boominathan

Electronic circular dichroism is an important optical phenomenon offering insights into chiral molecular materials. On the other hand, metal-organic frameworks (MOFs) are a novel group of crystalline porous thin-film materials that provide…

Diffractive surfaces shape optical wavefronts for applications in spectroscopy, high-speed communication, and imaging. The performance of these structures is primarily determined by how precisely they can be patterned. Fabrication…

FOS, which means light in Greek, is an open-source program for Fast Optical Spectrum calculations of nanoparticle media. This program takes the material properties and a description of the system as input, and outputs the spectral response…

Computational Physics · Physics 2024-09-04 Daniel Carne , Joseph Peoples , Ziqi Guo , Dudong Feng , Zherui Han , Xiaojie Liu , Xiulin Ruan

There has been considerable interest in properties of condensed matter at finite temperature, including non-equilibrium behavior and extreme conditions up to the warm dense matter regime. Such behavior is encountered, e.g., in experimental…

Materials Science · Physics 2021-07-28 Tun S. Tan , J. J. Kas , J. J. Rehr

The primary steps of photosynthesis rely on the generation, transport, and trapping of excitons in pigment-protein complexes (PPCs). Generically, PPCs possess highly structured vibrational spectra, combining many discrete intra-pigment…

Chemical Physics · Physics 2022-06-07 F. Caycedo-Soler , A. Mattioni , J. Lim , T. Renger , S. F. Huelga , M. B. Plenio

We present a technique for measuring the transverse spatial properties of an optical wavefront. Intensity and phase profiles are recovered by analysis of a series of interference patterns produced by the combination of a scanning X-shaped…

Optics · Physics 2015-06-15 David T. Lloyd , Kevin O'Keeffe , Simon M. Hooker

Nonlinear computation is essential for various information processing tasks. Optical implementations are attractive because passive light propagation can manipulate high-dimensional signals with extreme throughput and parallelism; yet…

The scaling behaviour of the diffraction intensity near the origin is investigated for (partially) ordered systems, with an emphasis on illustrative, rigorous results. This is an established method to detect and quantify the fluctuation…

Metric Geometry · Mathematics 2021-06-15 Michael Baake , Uwe Grimm

X-ray absorption spectroscopy yields direct access to the electronic and geometric structure of hybrid inorganic-organic interfaces formed upon adsorption of complex molecules at metal surfaces. The unambiguous interpretation of…

Chemical Physics · Physics 2017-06-19 Katharina Diller , Reinhard J. Maurer , Moritz Müller , Karsten Reuter

Coherent nonlinear optical micro-spectroscopy is a frequently used tool in modern material science, as it is sensitive to many different local observables, which comprise, among others, crystal symmetry and vibrational properties. The…

Optics · Physics 2023-04-12 Kai J. Spychala , Zeeshan H. Amber , Lukas M. Eng , Michael Rüsing

Frequency domain spectroscopy allows an experimenter to establish optical properties of solids in a wide frequency band including the technically challenging 10 THz region, and in other bands enables metrological comparison between…

Optics · Physics 2018-09-21 Steven Chick , Ben Murdin , Guy Matmon , Mira Naftaly

When calculating the optical absorption spectra of molecular crystals from first principles, the influence of the crystalline environment on the excitations is of significant importance. For such systems, however, methods to describe the…

Materials Science · Physics 2021-08-17 Joseph C. A. Prentice , Arash A. Mostofi

Searches for variations of fundamental constants require accurate measurement errors. There are several potential sources of errors and quantifying each one accurately is essential. This paper addresses one source of uncertainty relating to…

Instrumentation and Methods for Astrophysics · Physics 2022-12-02 Chung-Chi Lee , John K. Webb , Darren Dougan , Vladimir A. Dzuba , Victor V. Flambaum

The knowledge of the exact structure of the optical system PSF enables a high-quality image reconstruction in fluorescence microscopy. Accurate PSF models account for the vector nature of light and the phase and amplitude modifications.…

Rapid and low power computation of optical flow (OF) is potentially useful in robotics. The dynamic vision sensor (DVS) event camera produces quick and sparse output, and has high dynamic range, but conventional OF algorithms are…

Computer Vision and Pattern Recognition · Computer Science 2017-06-20 Min Liu , Tobi Delbruck